ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate

C12H18N2O2S — CID 30981151

IUPACethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-12(15)14-6-4-13(5-7-14)9-11-3-8-17-10-11/h3,8,10H,2,4-7,9H2,1H3
InChIKeyAKWZNPUYMFDHBD-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.02
Rot. Bonds3

About ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate

ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate (PubChem CID 30981151) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
PubChem CID30981151
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-12(15)14-6-4-13(5-7-14)9-11-3-8-17-10-11/h3,8,10H,2,4-7,9H2,1H3
InChIKeyAKWZNPUYMFDHBD-UHFFFAOYSA-N
XLogP2.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221
ethyl 4-methyl-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxylate bromide
CID 156599384
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone
CID 112803904
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
N'-(4-methylbenzoyl)-4-(thiophen-3-ylmethyl)piperazine-1-carbohydrazide
CID 17412335
ethyl 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazine-1-carboxylate
CID 103600819
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 79200562
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 55460883
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
CID 54869917

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate (CID 30981151) is ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate?
The InChIKey is AKWZNPUYMFDHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-16-12(15)14-6-4-13(5-7-14)9-11-3-8-17-10-11/h3,8,10H,2,4-7,9H2,1H3.
What are the key properties of ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 30981151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).